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31 similar compounds to monomer 50044740

Compile data set for download or QSAR
Wt: 763.9
BDBM50001598
Wt: 763.9
BDBM50001599
Wt: 763.9
BDBM50001602
Wt: 763.9
BDBM50001605
Wt: 763.9
BDBM50007828
Wt: 763.9
BDBM50007829
Wt: 636.7
BDBM50121296
Wt: 1250.3
BDBM50432254
Wt: 1206.3
BDBM50432261
Wt: 1276.4
BDBM50432262
Wt: 1004.2
BDBM50044734
Wt: 974.1
BDBM50044736
Wt: 990.1
BDBM50044737
Wt: 990.1
BDBM50044738
Wt: 992.1
BDBM50044741
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50001598,50001599,50001602,50001605,50007828,50007829,50121296,50432254,50432261,50432262,50044734,50044736,50044737,50044738,50044741   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L1


(Homo sapiens (Human))
BDBM50121296
PNG
(2-(2-{2-[2-(2-Acetylamino-4-methylsulfanyl-butyryl...)
Show SMILES CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C27H40N8O8S/c1-15(36)32-18(10-11-44-2)26(42)35-20(13-22(29)38)25(41)31-14-23(39)33-19(12-16-6-4-3-5-7-16)27(43)34-17(24(30)40)8-9-21(28)37/h3-7,17-20H,8-14H2,1-2H3,(H2,28,37)(H2,29,38)(H2,30,40)(H,31,41)(H,32,36)(H,33,39)(H,34,43)(H,35,42)/t17-,18-,19-,20-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Inhibitory activity against human Cathepsin L


J Med Chem 45: 5321-9 (2002)


Article DOI: 10.1021/jm020238t
BindingDB Entry DOI: 10.7270/Q23B5ZH6
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432262
PNG
(CHEMBL2347659)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H81N13O17S/c1-32(2)25-37(51(81)65-35(50(61)80)21-24-90-4)64-47(75)31-62-54(84)44(27-34-15-9-6-10-16-34)70(3)57(87)40(26-33-13-7-5-8-14-33)68-53(83)38(29-48(76)77)66-52(82)39(30-49(78)79)67-55(85)42-17-12-23-72(42)59(89)41(28-45(60)73)69-56(86)43-18-11-22-71(43)58(88)36-19-20-46(74)63-36/h5-10,13-16,32,35-44H,11-12,17-31H2,1-4H3,(H2,60,73)(H2,61,80)(H,62,84)(H,63,74)(H,64,75)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,86)(H,76,77)(H,78,79)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007829
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33+,40?/m0/s1
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n/an/an/an/a 8.30n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007829
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33+,40?/m0/s1
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n/an/an/an/a 63n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a 3.73E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a 5.23E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a 545n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a 3.77E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 0.230n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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n/an/an/an/a 0.130n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 820n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a>1.80E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a>4.70E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a 566n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a>8.22E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432254
PNG
(CHEMBL2347502)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C57H79N13O17S/c1-30(2)23-36(51(81)64-34(48(59)78)20-22-88-5)63-45(73)29-60-54(84)42(25-33-15-10-7-11-16-33)69(4)56(86)39(24-32-13-8-6-9-14-32)68-53(83)38(27-46(74)75)65-52(82)37(26-43(58)71)66-55(85)41-17-12-21-70(41)57(87)40(28-47(76)77)67-49(79)31(3)61-50(80)35-18-19-44(72)62-35/h6-11,13-16,30-31,34-42H,12,17-29H2,1-5H3,(H2,58,71)(H2,59,78)(H,60,84)(H,61,80)(H,62,72)(H,63,73)(H,64,81)(H,65,82)(H,66,85)(H,67,79)(H,68,83)(H,74,75)(H,76,77)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432261
PNG
(UPEROLEIN)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 0.120n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432262
PNG
(CHEMBL2347659)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H81N13O17S/c1-32(2)25-37(51(81)65-35(50(61)80)21-24-90-4)64-47(75)31-62-54(84)44(27-34-15-9-6-10-16-34)70(3)57(87)40(26-33-13-7-5-8-14-33)68-53(83)38(29-48(76)77)66-52(82)39(30-49(78)79)67-55(85)42-17-12-23-72(42)59(89)41(28-45(60)73)69-56(86)43-18-11-22-71(43)58(88)36-19-20-46(74)63-36/h5-10,13-16,32,35-44H,11-12,17-31H2,1-4H3,(H2,60,73)(H2,61,80)(H,62,84)(H,63,74)(H,64,75)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,86)(H,76,77)(H,78,79)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.0830n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432254
PNG
(CHEMBL2347502)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C57H79N13O17S/c1-30(2)23-36(51(81)64-34(48(59)78)20-22-88-5)63-45(73)29-60-54(84)42(25-33-15-10-7-11-16-33)69(4)56(86)39(24-32-13-8-6-9-14-32)68-53(83)38(27-46(74)75)65-52(82)37(26-43(58)71)66-55(85)41-17-12-21-70(41)57(87)40(28-47(76)77)67-49(79)31(3)61-50(80)35-18-19-44(72)62-35/h6-11,13-16,30-31,34-42H,12,17-29H2,1-5H3,(H2,58,71)(H2,59,78)(H,60,84)(H,61,80)(H,62,72)(H,63,73)(H,64,81)(H,65,82)(H,66,85)(H,67,79)(H,68,83)(H,74,75)(H,76,77)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50432261
PNG
(UPEROLEIN)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis


Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007828
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,40?/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007828
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,40?/m0/s1
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n/an/an/an/a>500n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair